2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide

C15H21FN2O2 — CID 84596460

IUPAC2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
SMILESO=C(NCCCF)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C15H21FN2O2/c16-7-4-8-17-15(19)18-9-10-20-14(12-18)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,19)
InChIKeyOXMUOSHIRYQJCJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.00
Rot. Bonds5

About 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide

2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide (PubChem CID 84596460) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
PubChem CID84596460
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
SMILESO=C(NCCCF)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C15H21FN2O2/c16-7-4-8-17-15(19)18-9-10-20-14(12-18)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,19)
InChIKeyOXMUOSHIRYQJCJ-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903
(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 124616348
(2R)-2-benzyl-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 97337265

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide?
The IUPAC name of 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide (CID 84596460) is 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide is O=C(NCCCF)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide?
The InChIKey is OXMUOSHIRYQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-7-4-8-17-15(19)18-9-10-20-14(12-18)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,19).
What are the key properties of 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide?
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide is sourced from PubChem (CID 84596460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).